2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide

C11H15Cl3N2O2S — CID 106057734

IUPAC2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2O2S/c1-2-3-15-4-5-19(17,18)16-11-7-9(13)8(12)6-10(11)14/h6-7,15-16H,2-5H2,1H3
InChIKeyBJYKRSNMTHGVMY-UHFFFAOYSA-N
MW345.68 g/mol
LogP3.39
Rot. Bonds7

About 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide

2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide (PubChem CID 106057734) has the molecular formula C11H15Cl3N2O2S and a molecular weight of 345.68 g/mol. Its IUPAC name is 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
PubChem CID106057734
Molecular FormulaC11H15Cl3N2O2S
Molecular Weight345.68 g/mol
Exact Mass343.99
IUPAC Name2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2O2S/c1-2-3-15-4-5-19(17,18)16-11-7-9(13)8(12)6-10(11)14/h6-7,15-16H,2-5H2,1H3
InChIKeyBJYKRSNMTHGVMY-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.68
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
CID 106057705
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
CID 114141200
N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
N-(2-bromo-5-chloro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106078956
N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
CID 114141241
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
CID 106003339
N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114132499
N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide
CID 114260649
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
CID 106073420
2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide
CID 106056316

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide?
The IUPAC name of 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide (CID 106057734) is 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide.
What is the SMILES notation for 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide?
The canonical SMILES for 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide is CCCNCCS(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide?
The InChIKey is BJYKRSNMTHGVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl3N2O2S/c1-2-3-15-4-5-19(17,18)16-11-7-9(13)8(12)6-10(11)14/h6-7,15-16H,2-5H2,1H3.
What are the key properties of 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide?
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide has a molecular weight of 345.68 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide is sourced from PubChem (CID 106057734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).